Zinc trifluoromethanesulfonate

HCID 104671

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Basic information

CAS: 54010-75-2
Standard SMILES: O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Zn+2]
InChIKey: CITILBVTAYEWKR-UHFFFAOYSA-L
Molecular formula: C2F6O6S2Zn
Average molar mass: 363.5 g/mol
Monoisotopic mass: 361.833191

Names & identifiers

Preferred name: Zinc trifluoromethanesulfonate
IUPAC: zinc bis(trifluoromethanesulfonate)
English name: Zinc trifluoromethanesulfonate
Molecular formula: C2F6O6S2Zn
Molecular weight: 363.53

Names & synonyms

Zinc trifluoromethanesulfonateZN(OTF)2zinc(2+) ion ditrifluoromethanesulfonateRefChem:905019Zn(OTf)(2)54010-75-2Zinc(II) TrifluoromethanesulfonateZinc trifluoromethanesulphonateZinc triflatezinc;trifluoromethanesulfonateMFCD00013229C2F6O6S2Zn

Show more names

trifluoromethanesulphonateZinc trifluoromethylsulfonateBis(trifluoromethanesulfonato)zincTrifluoromethane sulfonic acid zinczinc(2+) ditrifluoromethanesulfonateZinc trifLZinc Ditriflate

zinc trifluoromethansulfonateMethanesulfonic acid, trifluoro-, zinc saltZINC(II) TRIFLUOROMETHANESULPHONATEZinc(II) TriflateZinktriflatzinc(II)triflateEINECS 258-922-6Zinc trifluoromethanesulfonate, 98%

Database identifiers

CAS: 54010-75-2
PubChem CID: 104671
DTXSID: DTXSID7068899
EC Number: 258-922-6
Nikkaji: J261.102C

Properties

Computed structural properties

Topological polar surface area: 131 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 145

Physicochemical properties

Melting point: 300 °C · ≥300 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
form: Powder
color: White to light-gray
Water Solubility: Soluble in water and acetonitrile. Slightly soluble in methanol. Insoluble in dichloromethane.
Sensitive: Hygroscopic
BRN: 4028195 · 4028195
Stability: hygroscopic
InChI: InChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
InChIKey: CITILBVTAYEWKR-UHFFFAOYSA-L
SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S([O-])(=O)=O.[Zn+2]
CAS DataBase Reference: 54010 · 54010-75-2(CAS DataBase Reference)
EPA Substance Registry System: Methanesulfonic acid, trifluoro-, zinc salt (54010-75-2)
UNSPSC Code: 12161600 · 12161600
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10
Hazard Note: Irritant/Hygroscopic
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 11 · 11 - Combustible Solids
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

F: 3-10
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Irritant/Hygroscopic
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H314-H318
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501

Chemistry & industry

Applications · 1 item

UsesZinc trifluoromethanesulfonate acts as a catalyst for the preparation of dithioketals. It is used as a Lewis acid catalyst in silylation reactions. It is also used as a catalyst for greener amine synthesis by reductive amination with hydrogen gas.